cyclododecyl N-cyclobutylcarbamate

C17H31NO2 — CID 135210614

IUPACcyclododecyl N-cyclobutylcarbamate
SMILESO=C(NC1CCC1)OC1CCCCCCCCCCC1
InChIInChI=1S/C17H31NO2/c19-17(18-15-11-10-12-15)20-16-13-8-6-4-2-1-3-5-7-9-14-16/h15-16H,1-14H2,(H,18,19)
InChIKeyBUSLOYWMPJFFFD-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.94
Rot. Bonds2

About cyclododecyl N-cyclobutylcarbamate

cyclododecyl N-cyclobutylcarbamate (PubChem CID 135210614) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is cyclododecyl N-cyclobutylcarbamate.

Molecular Properties

Compound Namecyclododecyl N-cyclobutylcarbamate
PubChem CID135210614
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Namecyclododecyl N-cyclobutylcarbamate
SMILESO=C(NC1CCC1)OC1CCCCCCCCCCC1
InChIInChI=1S/C17H31NO2/c19-17(18-15-11-10-12-15)20-16-13-8-6-4-2-1-3-5-7-9-14-16/h15-16H,1-14H2,(H,18,19)
InChIKeyBUSLOYWMPJFFFD-UHFFFAOYSA-N
XLogP4.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl N-cyclopentylcarbamate
CID 127539095
cyclohexyl N-(oxetan-3-yl)carbamate
CID 150702100
(4,4-dimethylcycloheptyl) N-cyclohexylcarbamate
CID 91190672
piperidin-4-yl N-cyclobutylcarbamate
CID 116658988
cyclopentyl N-(oxetan-3-yl)carbamate
CID 129131220
cyclohexyl N-[3-[[4-[[4-[[3-(cyclohexyloxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexanecarbonyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 140544932
cyclopentylcarbamoperoxoic acid
CID 143557914
methyl N-cyclohexadecylcarbamate
CID 131977131
[(3R)-1-ethylpiperidin-3-yl] N-cyclohexylcarbamate
CID 869561
dicyclononyl carbonate
CID 139618210
cyclohexyl N-ethylcarbamate
CID 22978796
cyclohexyl carbamate;cyclohexylcarbamic acid
CID 161239099

Frequently Asked Questions

What is the IUPAC name of cyclododecyl N-cyclobutylcarbamate?
The IUPAC name of cyclododecyl N-cyclobutylcarbamate (CID 135210614) is cyclododecyl N-cyclobutylcarbamate.
What is the SMILES notation for cyclododecyl N-cyclobutylcarbamate?
The canonical SMILES for cyclododecyl N-cyclobutylcarbamate is O=C(NC1CCC1)OC1CCCCCCCCCCC1.
What is the InChIKey of cyclododecyl N-cyclobutylcarbamate?
The InChIKey is BUSLOYWMPJFFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c19-17(18-15-11-10-12-15)20-16-13-8-6-4-2-1-3-5-7-9-14-16/h15-16H,1-14H2,(H,18,19).
What are the key properties of cyclododecyl N-cyclobutylcarbamate?
cyclododecyl N-cyclobutylcarbamate has a molecular weight of 281.44 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecyl N-cyclobutylcarbamate is sourced from PubChem (CID 135210614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).